3-cyclopropyl-N-[(2-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C17H19N5O — CID 133478080

IUPAC3-cyclopropyl-N-[(2-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCOc1ccccc1CN(C)c1nccn2c(C3CC3)nnc12
InChIInChI=1S/C17H19N5O/c1-21(11-13-5-3-4-6-14(13)23-2)16-17-20-19-15(12-7-8-12)22(17)10-9-18-16/h3-6,9-10,12H,7-8,11H2,1-2H3
InChIKeyAYFCIYVRWNXRSS-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.65
Rot. Bonds5

About 3-cyclopropyl-N-[(2-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

3-cyclopropyl-N-[(2-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 133478080) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-cyclopropyl-N-[(2-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-[(2-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID133478080
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name3-cyclopropyl-N-[(2-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCOc1ccccc1CN(C)c1nccn2c(C3CC3)nnc12
InChIInChI=1S/C17H19N5O/c1-21(11-13-5-3-4-6-14(13)23-2)16-17-20-19-15(12-7-8-12)22(17)10-9-18-16/h3-6,9-10,12H,7-8,11H2,1-2H3
InChIKeyAYFCIYVRWNXRSS-UHFFFAOYSA-N
XLogP2.65
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[(2-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of 3-cyclopropyl-N-[(2-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 133478080) is 3-cyclopropyl-N-[(2-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for 3-cyclopropyl-N-[(2-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for 3-cyclopropyl-N-[(2-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is COc1ccccc1CN(C)c1nccn2c(C3CC3)nnc12.
What is the InChIKey of 3-cyclopropyl-N-[(2-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is AYFCIYVRWNXRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-21(11-13-5-3-4-6-14(13)23-2)16-17-20-19-15(12-7-8-12)22(17)10-9-18-16/h3-6,9-10,12H,7-8,11H2,1-2H3.
What are the key properties of 3-cyclopropyl-N-[(2-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
3-cyclopropyl-N-[(2-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 309.37 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[(2-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 133478080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).